N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide

C11H10F3NO3 — CID 888641

IUPACN-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)OCCO1)c1ccccc1
InChIInChI=1S/C11H10F3NO3/c12-10(13,14)11(17-6-7-18-11)15-9(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyUATZREYEVARURI-UHFFFAOYSA-N
MW261.20 g/mol
LogP1.68
Rot. Bonds2

About N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide

N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide (PubChem CID 888641) has the molecular formula C11H10F3NO3 and a molecular weight of 261.20 g/mol. Its IUPAC name is N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide.

Molecular Properties

Compound NameN-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide
PubChem CID888641
Molecular FormulaC11H10F3NO3
Molecular Weight261.20 g/mol
Exact Mass261.06
IUPAC NameN-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide
SMILESO=C(NC1(C(F)(F)F)OCCO1)c1ccccc1
InChIInChI=1S/C11H10F3NO3/c12-10(13,14)11(17-6-7-18-11)15-9(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16)
InChIKeyUATZREYEVARURI-UHFFFAOYSA-N
XLogP1.68
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.20
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide?
The IUPAC name of N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide (CID 888641) is N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide.
What is the SMILES notation for N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide?
The canonical SMILES for N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide is O=C(NC1(C(F)(F)F)OCCO1)c1ccccc1.
What is the InChIKey of N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide?
The InChIKey is UATZREYEVARURI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3NO3/c12-10(13,14)11(17-6-7-18-11)15-9(16)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,15,16).
What are the key properties of N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide?
N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide has a molecular weight of 261.20 g/mol, XLogP of 1.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]benzamide is sourced from PubChem (CID 888641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).